N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide

C14H12BrN3O3 — CID 106737138

IUPACN-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccnc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12BrN3O3/c1-9(10-4-2-5-11(8-10)18(20)21)14(19)17-12-6-3-7-16-13(12)15/h2-9H,1H3,(H,17,19)
InChIKeyBCLSWZCDKFNIRY-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.49
Rot. Bonds4

About N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide

N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide (PubChem CID 106737138) has the molecular formula C14H12BrN3O3 and a molecular weight of 350.17 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide
PubChem CID106737138
Molecular FormulaC14H12BrN3O3
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC NameN-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cccnc1Br)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12BrN3O3/c1-9(10-4-2-5-11(8-10)18(20)21)14(19)17-12-6-3-7-16-13(12)15/h2-9H,1H3,(H,17,19)
InChIKeyBCLSWZCDKFNIRY-UHFFFAOYSA-N
XLogP3.49
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-(3-nitrophenyl)propanamide
CID 106592005
N-(4-iodophenyl)-2-(3-nitrophenyl)propanamide
CID 106592010
2-(3-nitrophenyl)-N-(1H-pyrazol-4-yl)propanamide
CID 106592132
N-[(2S)-2-hydroxypropyl]-2-(3-nitrophenyl)propanamide
CID 106592096
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257
(2S)-N-(2-bromophenyl)-2-(4-nitrophenyl)propanamide
CID 895338
2-[2-(3-nitrophenyl)propanoylamino]acetic acid
CID 106591944
N-(2-bromo-3-pyridinyl)-2-methylbutanamide
CID 103819396
N-(1-hydroxy-2-methylpropan-2-yl)-2-(3-nitrophenyl)propanamide
CID 106592029
N-(3-hydroxycyclobutyl)-2-(3-nitrophenyl)propanamide
CID 106592073
N-[2-(ethylamino)ethyl]-2-(3-nitrophenyl)propanamide
CID 106592192
N-[(3-bromothiophen-2-yl)methyl]-2-(3-nitrophenyl)propanamide
CID 106592019

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide (CID 106737138) is N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide is CC(C(=O)Nc1cccnc1Br)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide?
The InChIKey is BCLSWZCDKFNIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3/c1-9(10-4-2-5-11(8-10)18(20)21)14(19)17-12-6-3-7-16-13(12)15/h2-9H,1H3,(H,17,19).
What are the key properties of N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide?
N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide has a molecular weight of 350.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-(3-nitrophenyl)propanamide is sourced from PubChem (CID 106737138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).